5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione

C27H23FN2O5 — CID 123888194

IUPAC5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione
SMILESC=C(NOC)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C27H23FN2O5/c1-16(29-35-3)17-6-12-21(13-7-17)30-24(18-4-10-20(28)11-5-18)23(26(32)27(30)33)25(31)19-8-14-22(34-2)15-9-19/h4-15,23-24,29H,1H2,2-3H3
InChIKeyVMKOIMPIUWCBEZ-UHFFFAOYSA-N
MW474.49 g/mol
LogP4.11
Rot. Bonds8

About 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione

5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione (PubChem CID 123888194) has the molecular formula C27H23FN2O5 and a molecular weight of 474.49 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione
PubChem CID123888194
Molecular FormulaC27H23FN2O5
Molecular Weight474.49 g/mol
Exact Mass474.16
IUPAC Name5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione
SMILESC=C(NOC)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1
InChIInChI=1S/C27H23FN2O5/c1-16(29-35-3)17-6-12-21(13-7-17)30-24(18-4-10-20(28)11-5-18)23(26(32)27(30)33)25(31)19-8-14-22(34-2)15-9-19/h4-15,23-24,29H,1H2,2-3H3
InChIKeyVMKOIMPIUWCBEZ-UHFFFAOYSA-N
XLogP4.11
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[4-(methoxyiminomethyl)phenyl]pyrrolidine-2,3-dione
CID 123175391
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidine-2,3-dione
CID 58045036
5-(3,4-dimethoxyphenyl)-4-(4-methoxybenzoyl)-1-(4-methoxyphenyl)pyrrolidine-2,3-dione
CID 58045228
1-(4-fluorophenyl)-5-(2-methoxyphenyl)-4-(4-methylbenzoyl)pyrrolidine-2,3-dione
CID 123469121
ethyl (2R,3S)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085695
ethyl (2S,3R)-1-(4-methoxyphenyl)-4,5-dioxo-2-phenylpyrrolidine-3-carboxylate
CID 98085696
4-benzoyl-5-[4-(hydroxyamino)phenyl]-1-(4-prop-1-en-2-ylphenyl)pyrrolidine-2,3-dione;hydrate
CID 145485506
5-(4-fluorophenyl)-4-(4-propan-2-yloxybenzoyl)-1-pyridin-1-ium-2-ylpyrrolidine-2,3-dione
CID 4144674
5-(4-fluorophenyl)-4-(4-methoxybenzoyl)-1-(2-piperazine-1,4-diium-1-ylethyl)pyrrolidine-2,3-dione
CID 4757121
4-(2,2-dimethylpropanoyl)-1-(4-ethynylphenyl)-5-(4-fluorophenyl)pyrrolidine-2,3-dione
CID 123727211
[(E)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 67991598
[(Z)-2-(4-fluorophenyl)-4-[(2S,3R)-1-(4-fluorophenyl)-2-(4-methoxyphenyl)-4-oxoazetidin-3-yl]but-2-enyl] acetate
CID 50923999

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione?
The IUPAC name of 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione (CID 123888194) is 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione is C=C(NOC)c1ccc(N2C(=O)C(=O)C(C(=O)c3ccc(OC)cc3)C2c2ccc(F)cc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione?
The InChIKey is VMKOIMPIUWCBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN2O5/c1-16(29-35-3)17-6-12-21(13-7-17)30-24(18-4-10-20(28)11-5-18)23(26(32)27(30)33)25(31)19-8-14-22(34-2)15-9-19/h4-15,23-24,29H,1H2,2-3H3.
What are the key properties of 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione?
5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione has a molecular weight of 474.49 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1-[4-[1-(methoxyamino)ethenyl]phenyl]-4-(4-methoxybenzoyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 123888194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).